SCHEMBL8716341

SCHEMBL8716341

O=C(O)c1ccc(-n2nnnc2Sc2ncc(C(=O)O)s2)cc1.O=C(O)c1ccc(-n2nnnc2Sc2ncc(NC(=O)c3ccccc3)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.45
EP300 Q09472 1/20 0.44
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 3/20 0.42
PPARG P37231 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.40
HDAC6 Q9UBN7 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
CSNK2A2 P19784 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8051515 0.95 HPGD (0.49) HPGDEP300KMT2AMEN1ALDH1A1
SCHEMBL8050828 0.90 ALDH1A1 (0.48) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL8045818 0.87 HPGD (0.51) HPGDEP300KMT2AMEN1ALDH1A1
SCHEMBL8042315 0.87 KMT2A (0.46) HPGDEP300KMT2AMEN1ALDH1A1
SCHEMBL8050355 0.85 MAPT (0.44) HPGDEP300KMT2AMEN1ALDH1A1
SCHEMBL8048023 0.85 ALDH1A1 (0.42) HPGDEP300KMT2AMEN1ALDH1A1
SCHEMBL8042810 0.85 ALDH1A1 (0.43) HPGDEP300KMT2AMEN1ALDH1A1
SCHEMBL8716132 0.85 HDAC6 (0.37) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL8048593 0.84 CYP1A2 (0.52) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL8043280 0.84 MAPT (0.41) HPGDEP300KMT2AMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed